2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide

C19H17ClN2O4S — CID 2548271

IUPAC2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C19H17ClN2O4S/c1-22(14-6-3-2-4-7-14)27(24,25)16-9-10-18(20)17(12-16)19(23)21-13-15-8-5-11-26-15/h2-12H,13H2,1H3,(H,21,23)
InChIKeyBHVWDMBFSLPVOU-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.69
Rot. Bonds6

About 2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide

2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2548271) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2548271
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C19H17ClN2O4S/c1-22(14-6-3-2-4-7-14)27(24,25)16-9-10-18(20)17(12-16)19(23)21-13-15-8-5-11-26-15/h2-12H,13H2,1H3,(H,21,23)
InChIKeyBHVWDMBFSLPVOU-UHFFFAOYSA-N
XLogP3.69
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide (CID 2548271) is 2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is BHVWDMBFSLPVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-22(14-6-3-2-4-7-14)27(24,25)16-9-10-18(20)17(12-16)19(23)21-13-15-8-5-11-26-15/h2-12H,13H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 404.88 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2548271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).